25-Cyclohexyl-5-demethoxy-25-de(1-methylpropyl)-22,23-dihydro-5-oxo-avermectin A1a

cas: 220119-16-4 — see every product listed under this CAS number, including other names

25-Cyclohexyl-5-demethoxy-25-de(1-methylpropyl)-22,23-dihydro-5-oxo-avermectin A1a (CAS 220119-16-4) is a chemical reagent available from Chemat. Available pack sizes: 2,5mg, 50mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-C988133-2.5MG
cas220119-16-4
size2,5mg
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Structural formula: {0} (CAS {1})

(1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20S,24S)-6'-cyclohexyl-24-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione (CAS 220119-16-4) is a chemical compound with the molecular formula C50H74O14 and a molecular weight of 899.1 g/mol. IUPAC name: (1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20S,24S)-6'-cyclohexyl-24-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione. InChIKey: JCXGGTZYZDLMDY-QYEATPFCSA-N.

Identity
Molecular formulaC50H74O14
Molecular weight899.1 g/mol
IUPAC name(1R,4S,5'S,6R,6'S,8R,10E,12S,13S,14E,16E,20S,24S)-6'-cyclohexyl-24-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2,21-dione
InChIKeyJCXGGTZYZDLMDY-QYEATPFCSA-N
SMILESC[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)O[C@@H]1C8CCCCC8

Computed by PubChem (NCBI)

Isomers (same molecular formula)
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one C50H74O14
(1'S,2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one C50H74O14
(2R,3S,4'S,6S,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,22'S,24'R)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-1(23),10,14,16-tetraene]-2'-one C50H74O14